N-(4-ethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide

C16H19N5O2 — CID 121187581

IUPACN-(4-ethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CC(Nc3ncccn3)C2)cc1
InChIInChI=1S/C16H19N5O2/c1-2-23-14-6-4-12(5-7-14)20-16(22)21-10-13(11-21)19-15-17-8-3-9-18-15/h3-9,13H,2,10-11H2,1H3,(H,20,22)(H,17,18,19)
InChIKeyZWRCKJOBXXZNDZ-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.20
Rot. Bonds5

About N-(4-ethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide

N-(4-ethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide (PubChem CID 121187581) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide
PubChem CID121187581
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-(4-ethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CC(Nc3ncccn3)C2)cc1
InChIInChI=1S/C16H19N5O2/c1-2-23-14-6-4-12(5-7-14)20-16(22)21-10-13(11-21)19-15-17-8-3-9-18-15/h3-9,13H,2,10-11H2,1H3,(H,20,22)(H,17,18,19)
InChIKeyZWRCKJOBXXZNDZ-UHFFFAOYSA-N
XLogP2.20
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide
CID 121187574
N-(3,5-dimethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide
CID 121187588
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
N-(4-ethoxyphenyl)-3-(4-phenylpiperidin-1-yl)azetidine-1-carboxamide
CID 23139858
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-ethoxyphenyl)azetidine-1-carboxamide
CID 146078584
N-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide
CID 7165091
N-(4-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 5177300
N-(4-ethoxyphenyl)-3-(N-propylanilino)azetidine-1-carboxamide
CID 23140494
N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 82087160
N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 17184958
N-(4-ethoxyphenyl)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122252055
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide (CID 121187581) is N-(4-ethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide is CCOc1ccc(NC(=O)N2CC(Nc3ncccn3)C2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide?
The InChIKey is ZWRCKJOBXXZNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-2-23-14-6-4-12(5-7-14)20-16(22)21-10-13(11-21)19-15-17-8-3-9-18-15/h3-9,13H,2,10-11H2,1H3,(H,20,22)(H,17,18,19).
What are the key properties of N-(4-ethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide?
N-(4-ethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide is sourced from PubChem (CID 121187581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).